Alessandro Mariani

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Questions related from Alessandro Mariani

Gaussian Input for iodide?

Dear all, I am getting completely lost trying to compile an input for gaussian16. The compound contains an Iodide anion, and I would like to use aug-cc-pvTZ for H C O N, and LANL08(d) for the...

12 March 2025 1,776 2 View

How to fill a capillary fast at 70°C?

I need to fill a 2mm diameter quartz capillary with a solution at 70°C. All the transfert procedure mast be done isothermically, otherwise the sample will decompose. Any idea?

06 March 2018 9,341 5 View

What is the meaning of a positive deviation of viscosity?

I have a binary mixture of two molecules able to establish hydrogen bonds and with similar volume. One of the pure has a viscosity LARGELY lower than the other, so I would expect that adding the...

20 March 2017 5,912 4 View

How do I calculate the Partial Molar Volumes for a binary mixture of two co-solvents starting from its density?

I have a bunch of binary mixtures of two solvents (i.e. water and ethanol) of different composition, from water mol.frac. 0 to 1. For each of them I have the experimental density. Now I want to...

01 January 2017 4,227 3 View

What are the meanings of the Activation Energy and the pre-exponential factor in the Arrhenius law applied to Viscosity?

In the canonical use of the Arrhenius law (i.e. kinetics), the activation energy is related to the height of the reaction barrier and the pre-exponential factor is related to the probability of...

02 September 2016 7,824 6 View